Chadwick, Alan V. and Kennedy, K.M. and Morrison, G.
(1997)
EXAFS and computer simulation studies of strontium doped lanthanum oxide.
In: Discussion Meeting on Solute Point Defect Interactions in Crystals, April 7-9, 1997, Lower Saxony, Germany.
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Abstract

Atomistic computer modelling and Extended X-ray Absorption Fine Structure (EXAFS) measurements were used to study the mode of solution and defects in Sr2+-doped La2O3. The computer modelling indicates that the most energetically favourable mode of solution is cation substitution with the formation of charge-compensating anion vacancies. This is confirmed by the EXAFS measurements. The EXAFS results also indicate that at high levels of Sr2+ there is the formation of the defect clusters with impurities and anion vacancies on adjacent sites, although the precise structure of the clusters could not be unambiguously identified.